(3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone

C18H15NO3S — CID 25258606

IUPAC(3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H15NO3S/c1-21-14-8-13(9-15(10-14)22-2)17(20)16-11-23-18(19-16)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyKMLBRQRREBMUKN-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.06
Rot. Bonds5

About (3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone

(3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 25258606) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID25258606
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name(3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H15NO3S/c1-21-14-8-13(9-15(10-14)22-2)17(20)16-11-23-18(19-16)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyKMLBRQRREBMUKN-UHFFFAOYSA-N
XLogP4.06
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone (CID 25258606) is (3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone is COc1cc(OC)cc(C(=O)c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is KMLBRQRREBMUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-21-14-8-13(9-15(10-14)22-2)17(20)16-11-23-18(19-16)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone?
(3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 325.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(2-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 25258606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).